Vitas-M small molecule compound
ethyl 6-{[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]methyl}-1-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK783645
SMILES CCOC(=O)C1=C(CSc2nc(c([nH]2)c2ccccc2)c2ccccc2)N(C(=O)NC1c1ccccc1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C30H28N4O3S MW 524.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N4O3S/c1-3-37-28(35)24-23(34(2)30(36)33-25(24)20-13-7-4-8-14-20)19-38-29-31-26(21-15-9-5-10-16-21)27(32-29)22-17-11-6-12-18-22/h4-18,25H,3,19H2,1-2H3,(H,31,32)(H,33,36)InChIKey
HXGGFGLDCZWPOS-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(CSc2nc(c((nH)2)c2ccccc2)c2ccccc2)N(C(=O)NC1c1ccccc1)C
CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)CSC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5
ETHYL4((45DIPHENYL1HIMIDAZOL2YL)SULFANYLMETHYL)3METHYL2OXO6PHENYL16DIHYDROPYRIMIDINE5CARBOXYLATE
ethyl6(((45diphenyl1Himidazol2yl)sulfanyl)methyl)1methyl2oxo4phenyl1234tetrahydropyrimidine5carboxylate
InChI=1SC30H28N4O3Sc133728(35)2423(34(2)30(36)3325(24)20137481420)1938293126(211595101621)27(3229)2217116121822h41825H319H212H3(H3132)(H3336)
MFCD06618689
ZINC000012412407
ZINC000012412409
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